1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol

C16H26N4O2 — CID 91261093

IUPAC1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol
SMILESCC(O)Cc1nc(NC2CCOCC2)cc(N2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-12(21)10-14-18-15(17-13-4-8-22-9-5-13)11-16(19-14)20-6-2-3-7-20/h11-13,21H,2-10H2,1H3,(H,17,18,19)
InChIKeyADYOFOIARFSNHO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.59
Rot. Bonds5

About 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol

1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol (PubChem CID 91261093) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol
PubChem CID91261093
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol
SMILESCC(O)Cc1nc(NC2CCOCC2)cc(N2CCCC2)n1
InChIInChI=1S/C16H26N4O2/c1-12(21)10-14-18-15(17-13-4-8-22-9-5-13)11-16(19-14)20-6-2-3-7-20/h11-13,21H,2-10H2,1H3,(H,17,18,19)
InChIKeyADYOFOIARFSNHO-UHFFFAOYSA-N
XLogP1.59
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol (CID 91261093) is 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol is CC(O)Cc1nc(NC2CCOCC2)cc(N2CCCC2)n1.
What is the InChIKey of 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol?
The InChIKey is ADYOFOIARFSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(21)10-14-18-15(17-13-4-8-22-9-5-13)11-16(19-14)20-6-2-3-7-20/h11-13,21H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol?
1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-ylamino)-6-pyrrolidin-1-ylpyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 91261093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).